3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one

C16H17NO3S2 — CID 3313737

IUPAC3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCOc1cccc(CN2C(=O)CSC2c2cccs2)c1OC
InChIInChI=1S/C16H17NO3S2/c1-19-12-6-3-5-11(15(12)20-2)9-17-14(18)10-22-16(17)13-7-4-8-21-13/h3-8,16H,9-10H2,1-2H3
InChIKeyBHLPTPAFDDMWED-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.54
Rot. Bonds5

About 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 3313737) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID3313737
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC Name3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCOc1cccc(CN2C(=O)CSC2c2cccs2)c1OC
InChIInChI=1S/C16H17NO3S2/c1-19-12-6-3-5-11(15(12)20-2)9-17-14(18)10-22-16(17)13-7-4-8-21-13/h3-8,16H,9-10H2,1-2H3
InChIKeyBHLPTPAFDDMWED-UHFFFAOYSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 3313737) is 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one is COc1cccc(CN2C(=O)CSC2c2cccs2)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is BHLPTPAFDDMWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-19-12-6-3-5-11(15(12)20-2)9-17-14(18)10-22-16(17)13-7-4-8-21-13/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 335.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3313737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).